UCSF

ZINC69946435

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 35 Yes

Popular Name: 1-[4-(2-pyridyl)piperazin-1-yl]-3-[(3S)-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]-1-piperidyl]propan-1 1-[4-(2-pyridyl)piperazin-1-yl]-…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 13.27 -135.25 3 8 3 63 480.681 7 ↓
Hi High (pH 8-9.5) 2.15 12.63 -52.34 1 8 1 60 478.665 7 ↓
Mid Mid (pH 6-8) 2.15 12.93 -89.83 2 8 2 61 479.673 7 ↓
Lo Low (pH 4.5-6) 2.15 14.86 -167.45 3 8 3 63 480.681 7 ↓
Lo Low (pH 4.5-6) 2.15 15.18 -243.07 4 8 4 64 481.689 7 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )